4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride

C18H27Cl2N3OS — CID 120753805

IUPAC4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
SMILESCCCc1nc(CN2CCNCC2c2ccccc2OC)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-3-6-18-20-14(13-23-18)12-21-10-9-19-11-16(21)15-7-4-5-8-17(15)22-2;;/h4-5,7-8,13,16,19H,3,6,9-12H2,1-2H3;2*1H
InChIKeyUOCJTTUIBJDWCO-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.09
Rot. Bonds6

About 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride (PubChem CID 120753805) has the molecular formula C18H27Cl2N3OS and a molecular weight of 404.41 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
PubChem CID120753805
Molecular FormulaC18H27Cl2N3OS
Molecular Weight404.41 g/mol
Exact Mass403.13
IUPAC Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
SMILESCCCc1nc(CN2CCNCC2c2ccccc2OC)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-3-6-18-20-14(13-23-18)12-21-10-9-19-11-16(21)15-7-4-5-8-17(15)22-2;;/h4-5,7-8,13,16,19H,3,6,9-12H2,1-2H3;2*1H
InChIKeyUOCJTTUIBJDWCO-UHFFFAOYSA-N
XLogP4.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120754217
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride (CID 120753805) is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride is CCCc1nc(CN2CCNCC2c2ccccc2OC)cs1.Cl.Cl.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride?
The InChIKey is UOCJTTUIBJDWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.2ClH/c1-3-6-18-20-14(13-23-18)12-21-10-9-19-11-16(21)15-7-4-5-8-17(15)22-2;;/h4-5,7-8,13,16,19H,3,6,9-12H2,1-2H3;2*1H.
What are the key properties of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride?
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride has a molecular weight of 404.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 120753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).